CID 44118555

2-(piperidin-1-ylsulphonyl)benzeneboronic acid

Structural Information

Molecular Formula
C11H16BNO4S
SMILES
B(C1=CC=CC=C1S(=O)(=O)N2CCCCC2)(O)O
InChI
InChI=1S/C11H16BNO4S/c14-12(15)10-6-2-3-7-11(10)18(16,17)13-8-4-1-5-9-13/h2-3,6-7,14-15H,1,4-5,8-9H2
InChIKey
PTSWGJSCDHDBRA-UHFFFAOYSA-N
Compound name
(2-piperidin-1-ylsulfonylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

269.0893 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09658 156.9
[M+Na]+ 292.07852 161.7
[M-H]- 268.08202 158.8
[M+NH4]+ 287.12312 170.4
[M+K]+ 308.05246 158.2
[M+H-H2O]+ 252.08656 150.2
[M+HCOO]- 314.08750 167.0
[M+CH3COO]- 328.10315 187.1
[M+Na-2H]- 290.06397 159.0
[M]+ 269.08875 153.7
[M]- 269.08985 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe